4-acetyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C20H23N3O6S — CID 43029791

IUPAC4-acetyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CN(C(C)=O)c2ccccc2O1
InChIInChI=1S/C20H23N3O6S/c1-13(24)23-12-19(29-18-8-6-5-7-16(18)23)20(25)21-15-11-14(9-10-17(15)28-4)30(26,27)22(2)3/h5-11,19H,12H2,1-4H3,(H,21,25)
InChIKeyTZMIXODUSIXDQS-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.70
Rot. Bonds5

About 4-acetyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

4-acetyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 43029791) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-acetyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID43029791
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name4-acetyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CN(C(C)=O)c2ccccc2O1
InChIInChI=1S/C20H23N3O6S/c1-13(24)23-12-19(29-18-8-6-5-7-16(18)23)20(25)21-15-11-14(9-10-17(15)28-4)30(26,27)22(2)3/h5-11,19H,12H2,1-4H3,(H,21,25)
InChIKeyTZMIXODUSIXDQS-UHFFFAOYSA-N
XLogP1.70
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3162267
(2S)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 30380088
(2S)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 94015918
(2S)-4-acetyl-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41323984
4-acetyl-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 17499891
4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18104204
N-benzyl-4-[2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133179939
(2S)-4-acetyl-N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41095791
methyl 4-[2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 133239012
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 7987425
4-acetyl-N-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18194453
N-benzyl-4-[3-(dimethylsulfamoyl)-4-methoxybenzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133239397

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4-acetyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 43029791) is 4-acetyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CN(C(C)=O)c2ccccc2O1.
What is the InChIKey of 4-acetyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is TZMIXODUSIXDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-13(24)23-12-19(29-18-8-6-5-7-16(18)23)20(25)21-15-11-14(9-10-17(15)28-4)30(26,27)22(2)3/h5-11,19H,12H2,1-4H3,(H,21,25).
What are the key properties of 4-acetyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
4-acetyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 43029791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).